ChemSpider 2D Image | sulfatide | C48H93NO12S

sulfatide

  • Molecular FormulaC48H93NO12S
  • Average mass908.317 Da
  • Monoisotopic mass907.641846 Da
  • ChemSpider ID4573177
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-2-Hydroxy-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]-4-octadecen-2-yl}tetracosanamid [German] [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]-4-octadecen-2-yl}tetracosanamide [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]-4-octadécén-2-yl}tétracosanamide [French] [ACD/IUPAC Name]
sulfatide [Wiki]
Tetracosanamide, 2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-, (2R)- [ACD/Index Name]
(2R)-2-hydroxy-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]octadec-4-en-2-yl}tetracosanamide; 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxytetracosanoyl]sphingosine
[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(2S,3R,4E)-3-hydroxy-2-[(2R)-2-hydroxytetracosanamido]octadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine
2-hydroxytetracosanoyl sulfatide
2-hydroxytetracosanoylgalactosylceramide sulfate
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  • Miscellaneous
    • Chemical Class:

      A galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide <element>N</element>-acyl group is specified as (<stereo>R</stereo>)-2-hydroxylignoceroyl. ChEBI CHEBI:76069

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.526
Molar Refractivity: 249.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 17.18
ACD/LogD (pH 5.5): 9.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 77029.36
ACD/LogD (pH 7.4): 9.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 77027.92
Polar Surface Area: 221 Å2
Polarizability: 98.7±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 810.9±5.0 cm3

Click to predict properties on the Chemicalize site





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